ChemSpider 2D Image | (3aR,5S,6R)-5-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-yl acetate | C14H22O7

(3aR,5S,6R)-5-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-yl acetate

  • Molecular FormulaC14H22O7
  • Average mass302.320 Da
  • Monoisotopic mass302.136566 Da
  • ChemSpider ID23976474

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3aR,5S,6R)-5-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-yl acetate [ACD/IUPAC Name]
(3aR,5S,6R)-5-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3aR,5S,6R)-5-[(4R)-2,2-diméthyl-1,3-dioxolan-4-yl]-2,2-diméthyltétrahydrofuro[2,3-d][1,3]dioxol-6-yle [French] [ACD/IUPAC Name]
38166-65-3 [RN]
3-Acetyl-1,2

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 350.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.5±3.0 kJ/mol
Flash Point: 151.4±27.9 °C
Index of Refraction: 1.502
Molar Refractivity: 71.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.52
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 20.94
ACD/KOC (pH 5.5): 307.05
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 20.94
ACD/KOC (pH 7.4): 307.05
Polar Surface Area: 72 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 41.4±5.0 dyne/cm
Molar Volume: 241.3±5.0 cm3

Click to predict properties on the Chemicalize site


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